#------------------------------------------------------------------------------
#$Date: 2016-03-25 08:49:35 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179709 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/12/7001260.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7001260
loop_
_publ_author_name
'Knight, Edward R.'
'Leung, Nina H.'
'Lin, Yvonne H.'
'Cowley, Andrew R.'
'Watkin, David J.'
'Thompson, Amber L.'
'Hogarth, Graeme'
'Wilton-Ely, James D. E. T.'
_publ_section_title
;
 Multimetallic arrays: Symmetrical bi-, tri- and tetrametallic
 complexes based on the group 10 metals and the functionalisation of
 gold nanoparticles with nickel-phosphine surface units
;
_journal_issue                   19
_journal_name_full               'Dalton Transactions'
_journal_page_first              3688
_journal_page_last               3697
_journal_paper_doi               10.1039/b821947h
_journal_year                    2009
_chemical_formula_moiety
'C74 H64 Fe2 N2 Ni2 P4 S4, 2(F6 P), 4(C H2 Cl2)'
_chemical_formula_sum            'C78 H72 Cl8 F12 Fe2 N2 Ni2 P6 S4'
_chemical_formula_weight         2092.16
_chemical_melting_point          ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.46(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.735(2)
_cell_length_b                   19.056(4)
_cell_length_c                   21.662(4)
_cell_measurement_reflns_used    16773
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      5.097
_cell_volume                     4429.9(15)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1997-2001).'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.924
_diffrn_measurement_device       'Nonius KappaCCD'
_diffrn_measurement_device_type  Area
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0408
_diffrn_reflns_av_sigmaI/netI    0.0296
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            33360
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.81
_diffrn_reflns_theta_min         5.03
_exptl_absorpt_coefficient_mu    1.252
_exptl_absorpt_correction_T_max  0.533
_exptl_absorpt_correction_T_min  0.422
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             2120
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.75
_exptl_crystal_size_min          0.50
_refine_diff_density_max         1.512
_refine_diff_density_min         -1.934
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         9699
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0666
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1022P)²+13.4759P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1774
_refine_ls_wR_factor_ref         0.1824
_reflns_number_gt                8732
_reflns_number_total             9699
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b821947h.txt
_cod_data_source_block           8
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        4430.0(15)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7001260
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.13401(4) 0.43247(2) 0.228308(19) 0.01690(13) Uani 1 1 d . . .
Fe1 Fe 0.25336(5) 0.41885(3) 0.41067(2) 0.02213(15) Uani 1 1 d . . .
S1 S -0.01878(8) 0.49113(5) 0.18122(4) 0.01934(19) Uani 1 1 d . . .
S2 S 0.22069(8) 0.45174(5) 0.13524(4) 0.0227(2) Uani 1 1 d . . .
P1 P 0.30698(8) 0.38124(5) 0.26060(4) 0.0214(2) Uani 1 1 d . . .
P2 P 0.01026(8) 0.41308(5) 0.31147(4) 0.01767(19) Uani 1 1 d . . .
N1 N 0.0476(3) 0.50985(17) 0.06008(14) 0.0228(6) Uani 1 1 d . . .
C1 C 0.3604(3) 0.4172(2) 0.33268(17) 0.0238(7) Uani 1 1 d . . .
C2 C 0.4282(4) 0.3851(2) 0.38317(18) 0.0294(8) Uani 1 1 d . . .
H2A H 0.4598 0.3369 0.3847 0.035 Uiso 1 1 calc R . .
C3 C 0.4394(4) 0.4364(3) 0.4312(2) 0.0346(9) Uani 1 1 d . . .
H3A H 0.4801 0.4286 0.4717 0.042 Uiso 1 1 calc R . .
C4 C 0.3825(4) 0.5008(2) 0.4113(2) 0.0348(9) Uani 1 1 d . . .
H4A H 0.3778 0.5443 0.4353 0.042 Uiso 1 1 calc R . .
C5 C 0.3339(4) 0.4899(2) 0.35083(18) 0.0272(8) Uani 1 1 d . . .
H5A H 0.2890 0.5247 0.3255 0.033 Uiso 1 1 calc R . .
C6 C 0.0729(3) 0.3986(2) 0.38853(16) 0.0212(7) Uani 1 1 d . . .
C7 C 0.1330(3) 0.3349(2) 0.41006(17) 0.0254(7) Uani 1 1 d . . .
H7A H 0.1417 0.2911 0.3869 0.030 Uiso 1 1 calc R . .
C8 C 0.1727(4) 0.3476(2) 0.47243(18) 0.0311(9) Uani 1 1 d . . .
H8A H 0.2186 0.3144 0.4991 0.037 Uiso 1 1 calc R . .
C9 C 0.1379(4) 0.4183(3) 0.48928(18) 0.0323(9) Uani 1 1 d . . .
H9A H 0.1568 0.4412 0.5289 0.039 Uiso 1 1 calc R . .
C10 C 0.0761(3) 0.4497(2) 0.43760(16) 0.0256(8) Uani 1 1 d . . .
H10A H 0.0419 0.4973 0.4356 0.031 Uiso 1 1 calc R . .
C11 C 0.0785(3) 0.48795(19) 0.11578(16) 0.0204(7) Uani 1 1 d . . .
C12 C 0.1346(3) 0.5057(2) 0.00590(16) 0.0258(8) Uani 1 1 d . . .
H12A H 0.1508 0.5525 -0.0094 0.031 Uiso 1 1 calc R . .
H12B H 0.2133 0.4852 0.0194 0.031 Uiso 1 1 calc R . .
C13 C 0.0765(3) 0.4614(2) -0.04538(16) 0.0242(7) Uani 1 1 d . . .
H13A H 0.1278 0.4629 -0.0816 0.029 Uiso 1 1 calc R . .
H13B H 0.0697 0.4130 -0.0321 0.029 Uiso 1 1 calc R . .
C14 C 0.4450(4) 0.3918(2) 0.20909(18) 0.0312(9) Uani 1 1 d . . .
C15 C 0.4620(5) 0.3462(3) 0.1582(2) 0.0456(12) Uani 1 1 d . . .
H15A H 0.4046 0.3107 0.1498 0.055 Uiso 1 1 calc R . .
C16 C 0.5680(6) 0.3549(4) 0.1198(3) 0.0630(18) Uani 1 1 d . . .
H16A H 0.5792 0.3238 0.0873 0.076 Uiso 1 1 calc R . .
C17 C 0.6524(5) 0.4072(4) 0.1293(3) 0.068(2) Uani 1 1 d . . .
H17A H 0.7204 0.4121 0.1040 0.082 Uiso 1 1 calc R . .
C18 C 0.6339(5) 0.4538(4) 0.1788(3) 0.0623(18) Uani 1 1 d . . .
H18A H 0.6904 0.4901 0.1862 0.075 Uiso 1 1 calc R . .
C19 C 0.5289(4) 0.4461(3) 0.2182(2) 0.0448(12) Uani 1 1 d . . .
H19A H 0.5174 0.4779 0.2501 0.054 Uiso 1 1 calc R . .
C20 C 0.2907(4) 0.2857(2) 0.26754(17) 0.0267(8) Uani 1 1 d . . .
C21 C 0.1808(4) 0.2538(2) 0.2472(2) 0.0333(9) Uani 1 1 d . . .
H21A H 0.1167 0.2810 0.2302 0.040 Uiso 1 1 calc R . .
C22 C 0.1654(5) 0.1805(3) 0.2522(3) 0.0459(11) Uani 1 1 d . . .
H22A H 0.0913 0.1599 0.2385 0.055 Uiso 1 1 calc R . .
C23 C 0.2588(6) 0.1394(3) 0.2772(2) 0.0500(13) Uani 1 1 d . . .
H23A H 0.2473 0.0913 0.2817 0.060 Uiso 1 1 calc R . .
C24 C 0.3703(6) 0.1704(3) 0.2955(3) 0.0534(14) Uani 1 1 d . . .
H24A H 0.4347 0.1426 0.3114 0.064 Uiso 1 1 calc R . .
C25 C 0.3878(5) 0.2438(3) 0.2905(2) 0.0420(11) Uani 1 1 d . . .
H25A H 0.4636 0.2639 0.3024 0.050 Uiso 1 1 calc R . .
C26 C -0.0956(3) 0.4880(2) 0.32560(16) 0.0212(7) Uani 1 1 d . . .
C27 C -0.0458(4) 0.5566(2) 0.32634(17) 0.0257(7) Uani 1 1 d . . .
H27A H 0.0374 0.5638 0.3172 0.031 Uiso 1 1 calc R . .
C28 C -0.1222(4) 0.6143(2) 0.3410(2) 0.0322(9) Uani 1 1 d . . .
H28A H -0.0888 0.6593 0.3420 0.039 Uiso 1 1 calc R . .
C29 C -0.2500(4) 0.6038(3) 0.3540(2) 0.0367(10) Uani 1 1 d . . .
H29A H -0.3003 0.6418 0.3635 0.044 Uiso 1 1 calc R . .
C30 C -0.2991(4) 0.5366(3) 0.3526(2) 0.0379(10) Uani 1 1 d . . .
H30A H -0.3828 0.5298 0.3609 0.045 Uiso 1 1 calc R . .
C31 C -0.2237(4) 0.4784(2) 0.3387(2) 0.0309(8) Uani 1 1 d . . .
H31A H -0.2579 0.4335 0.3381 0.037 Uiso 1 1 calc R . .
C32 C -0.0947(3) 0.3375(2) 0.30047(17) 0.0240(7) Uani 1 1 d . . .
C33 C -0.1367(4) 0.3214(2) 0.24124(18) 0.0273(8) Uani 1 1 d . . .
H33A H -0.1097 0.3471 0.2077 0.033 Uiso 1 1 calc R . .
C34 C -0.2203(4) 0.2658(2) 0.2326(2) 0.0374(10) Uani 1 1 d . . .
H34A H -0.2484 0.2546 0.1928 0.045 Uiso 1 1 calc R . .
C35 C -0.2626(5) 0.2262(3) 0.2828(3) 0.0443(11) Uani 1 1 d . . .
H35A H -0.3189 0.1898 0.2759 0.053 Uiso 1 1 calc R . .
C36 C -0.2219(6) 0.2409(3) 0.3414(3) 0.0550(15) Uani 1 1 d . . .
H36A H -0.2490 0.2146 0.3746 0.066 Uiso 1 1 calc R . .
C37 C -0.1380(5) 0.2967(3) 0.3505(2) 0.0452(12) Uani 1 1 d . . .
H37A H -0.1101 0.3073 0.3904 0.054 Uiso 1 1 calc R . .
P3 P 0.96903(11) 0.27501(6) 0.04831(5) 0.0338(3) Uani 1 1 d . . .
F1 F 0.9487(3) 0.35427(16) 0.07292(18) 0.0591(9) Uani 1 1 d . . .
F2 F 0.9881(4) 0.19642(19) 0.0232(2) 0.0768(12) Uani 1 1 d . . .
F3 F 1.1072(3) 0.2964(2) 0.0241(2) 0.0673(10) Uani 1 1 d . . .
F4 F 0.8294(3) 0.25561(18) 0.07195(16) 0.0558(8) Uani 1 1 d . . .
F5 F 0.9151(4) 0.2983(2) -0.01715(15) 0.0701(11) Uani 1 1 d . . .
F6 F 1.0211(4) 0.2527(2) 0.11361(17) 0.0736(11) Uani 1 1 d . . .
C38 C 0.4764(9) 0.5970(7) 0.0847(6) 0.120(4) Uani 1 1 d . . .
H38A H 0.4575 0.5473 0.0877 0.145 Uiso 1 1 calc R . .
H38B H 0.4982 0.6135 0.1259 0.145 Uiso 1 1 calc R . .
C39 C 0.3300(8) 0.1771(5) 0.0311(4) 0.090(3) Uani 1 1 d . . .
H39A H 0.4189 0.1809 0.0251 0.107 Uiso 1 1 calc R . .
H39B H 0.2928 0.2217 0.0194 0.107 Uiso 1 1 calc R . .
Cl1 Cl 0.34283(15) 0.64059(9) 0.05896(8) 0.0616(4) Uani 1 1 d . . .
Cl2 Cl 0.6068(2) 0.60695(19) 0.03813(14) 0.1153(9) Uani 1 1 d . . .
Cl3 Cl 0.3070(3) 0.16442(15) 0.10571(14) 0.1143(9) Uani 1 1 d . . .
Cl4 Cl 0.2705(3) 0.11225(18) -0.01960(14) 0.1202(9) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ni1 S1 169.17(4) . . ?
P1 Ni1 S2 89.56(4) . . ?
S1 Ni1 S2 79.91(4) . . ?
P1 Ni1 P2 100.37(4) . . ?
S1 Ni1 P2 90.35(4) . . ?
S2 Ni1 P2 168.78(4) . . ?
C6 Fe1 C7 41.57(15) . . ?
C6 Fe1 C3 177.87(18) . . ?
C7 Fe1 C3 137.07(17) . . ?
C6 Fe1 C1 110.65(14) . . ?
C7 Fe1 C1 110.19(16) . . ?
C3 Fe1 C1 67.89(16) . . ?
C6 Fe1 C5 112.80(15) . . ?
C7 Fe1 C5 140.73(15) . . ?
C3 Fe1 C5 67.25(17) . . ?
C1 Fe1 C5 41.53(16) . . ?
C6 Fe1 C2 137.55(16) . . ?
C7 Fe1 C2 109.16(17) . . ?
C3 Fe1 C2 40.35(18) . . ?
C1 Fe1 C2 40.43(14) . . ?
C5 Fe1 C2 68.34(16) . . ?
C6 Fe1 C10 40.99(15) . . ?
C7 Fe1 C10 69.14(16) . . ?
C3 Fe1 C10 141.10(17) . . ?
C1 Fe1 C10 139.63(14) . . ?
C5 Fe1 C10 112.80(16) . . ?
C2 Fe1 C10 178.28(17) . . ?
C6 Fe1 C4 140.93(17) . . ?
C7 Fe1 C4 177.33(17) . . ?
C3 Fe1 C4 40.40(18) . . ?
C1 Fe1 C4 68.55(17) . . ?
C5 Fe1 C4 39.68(16) . . ?
C2 Fe1 C4 68.31(18) . . ?
C10 Fe1 C4 113.40(18) . . ?
C6 Fe1 C8 67.74(15) . . ?
C7 Fe1 C8 40.06(15) . . ?
C3 Fe1 C8 112.23(17) . . ?
C1 Fe1 C8 139.00(17) . . ?
C5 Fe1 C8 179.20(17) . . ?
C2 Fe1 C8 111.71(17) . . ?
C10 Fe1 C8 67.17(16) . . ?
C4 Fe1 C8 139.54(17) . . ?
C6 Fe1 C9 67.38(15) . . ?
C7 Fe1 C9 67.87(17) . . ?
C3 Fe1 C9 114.07(17) . . ?
C1 Fe1 C9 177.88(16) . . ?
C5 Fe1 C9 139.57(18) . . ?
C2 Fe1 C9 140.59(15) . . ?
C10 Fe1 C9 39.27(14) . . ?
C4 Fe1 C9 113.42(18) . . ?
C8 Fe1 C9 39.93(18) . . ?
C11 S1 Ni1 84.67(12) . . ?
C11 S2 Ni1 84.32(12) . . ?
C1 P1 C20 109.76(18) . . ?
C1 P1 C14 103.67(19) . . ?
C20 P1 C14 103.43(19) . . ?
C1 P1 Ni1 110.96(13) . . ?
C20 P1 Ni1 112.67(14) . . ?
C14 P1 Ni1 115.72(12) . . ?
C6 P2 C32 102.29(17) . . ?
C6 P2 C26 100.37(16) . . ?
C32 P2 C26 104.33(17) . . ?
C6 P2 Ni1 122.75(12) . . ?
C32 P2 Ni1 112.90(13) . . ?
C26 P2 Ni1 112.04(12) . . ?
C11 N1 C13 121.7(3) . 3_565 ?
C11 N1 C12 123.2(3) . . ?
C13 N1 C12 115.1(3) 3_565 . ?
C2 C1 C5 107.2(3) . . ?
C2 C1 P1 130.4(3) . . ?
C5 C1 P1 122.4(3) . . ?
C2 C1 Fe1 70.4(2) . . ?
C5 C1 Fe1 69.6(2) . . ?
P1 C1 Fe1 123.2(2) . . ?
C3 C2 C1 107.2(4) . . ?
C3 C2 Fe1 69.0(2) . . ?
C1 C2 Fe1 69.1(2) . . ?
C3 C2 H2A 126.4 . . ?
C1 C2 H2A 126.4 . . ?
Fe1 C2 H2A 126.4 . . ?
C2 C3 C4 109.8(4) . . ?
C2 C3 Fe1 70.7(2) . . ?
C4 C3 Fe1 70.8(2) . . ?
C2 C3 H3A 125.1 . . ?
C4 C3 H3A 125.1 . . ?
Fe1 C3 H3A 125.1 . . ?
C5 C4 C3 107.3(4) . . ?
C5 C4 Fe1 69.8(2) . . ?
C3 C4 Fe1 68.8(2) . . ?
C5 C4 H4A 126.4 . . ?
C3 C4 H4A 126.4 . . ?
Fe1 C4 H4A 126.4 . . ?
C4 C5 C1 108.5(4) . . ?
C4 C5 Fe1 70.6(2) . . ?
C1 C5 Fe1 68.9(2) . . ?
C4 C5 H5A 125.7 . . ?
C1 C5 H5A 125.7 . . ?
Fe1 C5 H5A 125.7 . . ?
C10 C6 C7 109.1(3) . . ?
C10 C6 P2 125.5(3) . . ?
C7 C6 P2 125.4(3) . . ?
C10 C6 Fe1 72.0(2) . . ?
C7 C6 Fe1 70.5(2) . . ?
P2 C6 Fe1 121.52(18) . . ?
C8 C7 C6 106.4(3) . . ?
C8 C7 Fe1 71.9(2) . . ?
C6 C7 Fe1 67.9(2) . . ?
C8 C7 H7A 126.8 . . ?
C6 C7 H7A 126.8 . . ?
Fe1 C7 H7A 126.8 . . ?
C7 C8 C9 108.9(3) . . ?
C7 C8 Fe1 68.0(2) . . ?
C9 C8 Fe1 70.9(2) . . ?
C7 C8 H8A 125.5 . . ?
C9 C8 H8A 125.5 . . ?
Fe1 C8 H8A 125.5 . . ?
C10 C9 C8 108.2(4) . . ?
C10 C9 Fe1 68.7(2) . . ?
C8 C9 Fe1 69.1(2) . . ?
C10 C9 H9A 125.9 . . ?
C8 C9 H9A 125.9 . . ?
Fe1 C9 H9A 125.9 . . ?
C9 C10 C6 107.5(4) . . ?
C9 C10 Fe1 72.0(2) . . ?
C6 C10 Fe1 67.0(2) . . ?
C9 C10 H10A 126.3 . . ?
C6 C10 H10A 126.3 . . ?
Fe1 C10 H10A 126.3 . . ?
N1 C11 S2 123.8(3) . . ?
N1 C11 S1 125.5(3) . . ?
S2 C11 S1 110.70(19) . . ?
C13 C12 N1 110.2(3) . . ?
C13 C12 H12A 109.6 . . ?
N1 C12 H12A 109.6 . . ?
C13 C12 H12B 109.6 . . ?
N1 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
N1 C13 C12 107.7(3) 3_565 . ?
N1 C13 H13A 110.2 3_565 . ?
C12 C13 H13A 110.2 . . ?
N1 C13 H13B 110.2 3_565 . ?
C12 C13 H13B 110.2 . . ?
H13A C13 H13B 108.5 . . ?
C19 C14 C15 118.2(4) . . ?
C19 C14 P1 121.0(4) . . ?
C15 C14 P1 120.8(4) . . ?
C14 C15 C16 119.9(6) . . ?
C14 C15 H15A 120.0 . . ?
C16 C15 H15A 120.0 . . ?
C17 C16 C15 122.1(6) . . ?
C17 C16 H16A 119.0 . . ?
C15 C16 H16A 119.0 . . ?
C16 C17 C18 118.1(5) . . ?
C16 C17 H17A 120.9 . . ?
C18 C17 H17A 120.9 . . ?
C17 C18 C19 120.9(6) . . ?
C17 C18 H18A 119.6 . . ?
C19 C18 H18A 119.6 . . ?
C14 C19 C18 120.7(6) . . ?
C14 C19 H19A 119.6 . . ?
C18 C19 H19A 119.6 . . ?
C21 C20 C25 118.9(4) . . ?
C21 C20 P1 119.3(3) . . ?
C25 C20 P1 121.7(4) . . ?
C20 C21 C22 120.6(4) . . ?
C20 C21 H21A 119.7 . . ?
C22 C21 H21A 119.7 . . ?
C23 C22 C21 120.7(5) . . ?
C23 C22 H22A 119.7 . . ?
C21 C22 H22A 119.7 . . ?
C22 C23 C24 119.1(5) . . ?
C22 C23 H23A 120.4 . . ?
C24 C23 H23A 120.4 . . ?
C23 C24 C25 121.0(5) . . ?
C23 C24 H24A 119.5 . . ?
C25 C24 H24A 119.5 . . ?
C20 C25 C24 119.6(5) . . ?
C20 C25 H25A 120.2 . . ?
C24 C25 H25A 120.2 . . ?
C27 C26 C31 118.9(4) . . ?
C27 C26 P2 118.7(3) . . ?
C31 C26 P2 122.3(3) . . ?
C28 C27 C26 120.1(4) . . ?
C28 C27 H27A 119.9 . . ?
C26 C27 H27A 119.9 . . ?
C27 C28 C29 120.2(4) . . ?
C27 C28 H28A 119.9 . . ?
C29 C28 H28A 119.9 . . ?
C30 C29 C28 119.7(4) . . ?
C30 C29 H29A 120.2 . . ?
C28 C29 H29A 120.2 . . ?
C29 C30 C31 120.8(4) . . ?
C29 C30 H30A 119.6 . . ?
C31 C30 H30A 119.6 . . ?
C30 C31 C26 120.3(4) . . ?
C30 C31 H31A 119.8 . . ?
C26 C31 H31A 119.8 . . ?
C33 C32 C37 118.7(4) . . ?
C33 C32 P2 118.6(3) . . ?
C37 C32 P2 122.7(3) . . ?
C32 C33 C34 119.1(4) . . ?
C32 C33 H33A 120.5 . . ?
C34 C33 H33A 120.5 . . ?
C33 C34 C35 121.4(4) . . ?
C33 C34 H34A 119.3 . . ?
C35 C34 H34A 119.3 . . ?
C36 C35 C34 120.5(4) . . ?
C36 C35 H35A 119.7 . . ?
C34 C35 H35A 119.7 . . ?
C35 C36 C37 118.5(5) . . ?
C35 C36 H36A 120.8 . . ?
C37 C36 H36A 120.8 . . ?
C36 C37 C32 121.9(4) . . ?
C36 C37 H37A 119.1 . . ?
C32 C37 H37A 119.1 . . ?
F6 P3 F5 179.1(3) . . ?
F6 P3 F2 90.4(2) . . ?
F5 P3 F2 90.3(2) . . ?
F6 P3 F1 90.2(2) . . ?
F5 P3 F1 89.1(2) . . ?
F2 P3 F1 179.3(2) . . ?
F6 P3 F3 92.9(2) . . ?
F5 P3 F3 87.6(2) . . ?
F2 P3 F3 90.0(2) . . ?
F1 P3 F3 90.2(2) . . ?
F6 P3 F4 88.0(2) . . ?
F5 P3 F4 91.5(2) . . ?
F2 P3 F4 91.2(2) . . ?
F1 P3 F4 88.60(19) . . ?
F3 P3 F4 178.5(2) . . ?
Cl1 C38 Cl2 115.3(6) . . ?
Cl1 C38 H38A 108.4 . . ?
Cl2 C38 H38A 108.4 . . ?
Cl1 C38 H38B 108.4 . . ?
Cl2 C38 H38B 108.4 . . ?
H38A C38 H38B 107.5 . . ?
Cl3 C39 Cl4 116.4(6) . . ?
Cl3 C39 H39A 108.2 . . ?
Cl4 C39 H39A 108.2 . . ?
Cl3 C39 H39B 108.2 . . ?
Cl4 C39 H39B 108.2 . . ?
H39A C39 H39B 107.3 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 P1 2.1964(11) . ?
Ni1 S1 2.2124(10) . ?
Ni1 S2 2.2719(11) . ?
Ni1 P2 2.2953(11) . ?
Fe1 C6 2.021(4) . ?
Fe1 C7 2.056(4) . ?
Fe1 C3 2.063(4) . ?
Fe1 C1 2.068(4) . ?
Fe1 C5 2.078(4) . ?
Fe1 C2 2.085(4) . ?
Fe1 C10 2.088(4) . ?
Fe1 C4 2.088(4) . ?
Fe1 C8 2.108(4) . ?
Fe1 C9 2.132(4) . ?
S1 C11 1.783(4) . ?
S2 C11 1.718(4) . ?
P1 C1 1.786(4) . ?
P1 C20 1.836(4) . ?
P1 C14 1.888(4) . ?
P2 C6 1.805(4) . ?
P2 C32 1.840(4) . ?
P2 C26 1.855(4) . ?
N1 C11 1.311(5) . ?
N1 C13 1.469(5) 3_565 ?
N1 C12 1.520(5) . ?
C1 C2 1.435(5) . ?
C1 C5 1.470(6) . ?
C2 C3 1.431(6) . ?
C2 H2A 0.9800 . ?
C3 C4 1.433(7) . ?
C3 H3A 0.9800 . ?
C4 C5 1.414(6) . ?
C4 H4A 0.9800 . ?
C5 H5A 0.9800 . ?
C6 C10 1.440(5) . ?
C6 C7 1.447(5) . ?
C7 C8 1.427(5) . ?
C7 H7A 0.9800 . ?
C8 C9 1.448(7) . ?
C8 H8A 0.9800 . ?
C9 C10 1.419(5) . ?
C9 H9A 0.9800 . ?
C10 H10A 0.9800 . ?
C12 C13 1.516(5) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 N1 1.469(5) 3_565 ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C19 1.382(7) . ?
C14 C15 1.419(7) . ?
C15 C16 1.436(7) . ?
C15 H15A 0.9300 . ?
C16 C17 1.359(11) . ?
C16 H16A 0.9300 . ?
C17 C18 1.410(11) . ?
C17 H17A 0.9300 . ?
C18 C19 1.438(7) . ?
C18 H18A 0.9300 . ?
C19 H19A 0.9300 . ?
C20 C21 1.389(6) . ?
C20 C25 1.395(6) . ?
C21 C22 1.411(7) . ?
C21 H21A 0.9300 . ?
C22 C23 1.372(8) . ?
C22 H22A 0.9300 . ?
C23 C24 1.385(9) . ?
C23 H23A 0.9300 . ?
C24 C25 1.415(7) . ?
C24 H24A 0.9300 . ?
C25 H25A 0.9300 . ?
C26 C27 1.413(5) . ?
C26 C31 1.423(5) . ?
C27 C28 1.413(6) . ?
C27 H27A 0.9300 . ?
C28 C29 1.422(7) . ?
C28 H28A 0.9300 . ?
C29 C30 1.385(7) . ?
C29 H29A 0.9300 . ?
C30 C31 1.410(6) . ?
C30 H30A 0.9300 . ?
C31 H31A 0.9300 . ?
C32 C33 1.384(5) . ?
C32 C37 1.421(6) . ?
C33 C34 1.398(6) . ?
C33 H33A 0.9300 . ?
C34 C35 1.409(7) . ?
C34 H34A 0.9300 . ?
C35 C36 1.360(8) . ?
C35 H35A 0.9300 . ?
C36 C37 1.404(7) . ?
C36 H36A 0.9300 . ?
C37 H37A 0.9300 . ?
P3 F6 1.566(3) . ?
P3 F5 1.582(3) . ?
P3 F2 1.609(4) . ?
P3 F1 1.618(3) . ?
P3 F3 1.638(4) . ?
P3 F4 1.638(3) . ?
C38 Cl1 1.737(9) . ?
C38 Cl2 1.756(11) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 Cl3 1.660(10) . ?
C39 Cl4 1.762(9) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 Ni1 S1 C11 17.7(3) . . . . ?
S2 Ni1 S1 C11 4.06(12) . . . . ?
P2 Ni1 S1 C11 -170.33(12) . . . . ?
P1 Ni1 S2 C11 178.32(12) . . . . ?
S1 Ni1 S2 C11 -4.22(12) . . . . ?
P2 Ni1 S2 C11 25.9(3) . . . . ?
S1 Ni1 P1 C1 115.5(2) . . . . ?
S2 Ni1 P1 C1 128.93(14) . . . . ?
P2 Ni1 P1 C1 -56.32(14) . . . . ?
S1 Ni1 P1 C20 -121.0(2) . . . . ?
S2 Ni1 P1 C20 -107.53(14) . . . . ?
P2 Ni1 P1 C20 67.21(14) . . . . ?
S1 Ni1 P1 C14 -2.2(3) . . . . ?
S2 Ni1 P1 C14 11.20(18) . . . . ?
P2 Ni1 P1 C14 -174.06(17) . . . . ?
P1 Ni1 P2 C6 24.68(16) . . . . ?
S1 Ni1 P2 C6 -153.79(15) . . . . ?
S2 Ni1 P2 C6 176.6(2) . . . . ?
P1 Ni1 P2 C32 -98.45(14) . . . . ?
S1 Ni1 P2 C32 83.08(14) . . . . ?
S2 Ni1 P2 C32 53.5(3) . . . . ?
P1 Ni1 P2 C26 144.11(13) . . . . ?
S1 Ni1 P2 C26 -34.36(13) . . . . ?
S2 Ni1 P2 C26 -64.0(2) . . . . ?
C20 P1 C1 C2 23.6(4) . . . . ?
C14 P1 C1 C2 -86.3(4) . . . . ?
Ni1 P1 C1 C2 148.8(3) . . . . ?
C20 P1 C1 C5 -153.7(3) . . . . ?
C14 P1 C1 C5 96.4(3) . . . . ?
Ni1 P1 C1 C5 -28.5(3) . . . . ?
C20 P1 C1 Fe1 -68.2(3) . . . . ?
C14 P1 C1 Fe1 -178.1(2) . . . . ?
Ni1 P1 C1 Fe1 57.0(2) . . . . ?
C6 Fe1 C1 C2 -140.7(2) . . . . ?
C7 Fe1 C1 C2 -96.2(3) . . . . ?
C3 Fe1 C1 C2 37.7(3) . . . . ?
C5 Fe1 C1 C2 117.8(3) . . . . ?
C10 Fe1 C1 C2 -177.4(3) . . . . ?
C4 Fe1 C1 C2 81.3(3) . . . . ?
C8 Fe1 C1 C2 -61.3(3) . . . . ?
C6 Fe1 C1 C5 101.5(2) . . . . ?
C7 Fe1 C1 C5 146.0(2) . . . . ?
C3 Fe1 C1 C5 -80.2(2) . . . . ?
C2 Fe1 C1 C5 -117.8(3) . . . . ?
C10 Fe1 C1 C5 64.8(3) . . . . ?
C4 Fe1 C1 C5 -36.5(2) . . . . ?
C8 Fe1 C1 C5 -179.1(2) . . . . ?
C6 Fe1 C1 P1 -14.6(3) . . . . ?
C7 Fe1 C1 P1 29.9(3) . . . . ?
C3 Fe1 C1 P1 163.8(3) . . . . ?
C5 Fe1 C1 P1 -116.1(3) . . . . ?
C2 Fe1 C1 P1 126.1(4) . . . . ?
C10 Fe1 C1 P1 -51.2(4) . . . . ?
C4 Fe1 C1 P1 -152.6(3) . . . . ?
C8 Fe1 C1 P1 64.9(3) . . . . ?
C5 C1 C2 C3 1.5(4) . . . . ?
P1 C1 C2 C3 -176.1(3) . . . . ?
Fe1 C1 C2 C3 -58.7(3) . . . . ?
C5 C1 C2 Fe1 60.2(3) . . . . ?
P1 C1 C2 Fe1 -117.4(3) . . . . ?
C6 Fe1 C2 C3 -179.5(3) . . . . ?
C7 Fe1 C2 C3 -142.0(3) . . . . ?
C1 Fe1 C2 C3 119.0(4) . . . . ?
C5 Fe1 C2 C3 79.9(3) . . . . ?
C4 Fe1 C2 C3 37.1(3) . . . . ?
C8 Fe1 C2 C3 -99.2(3) . . . . ?
C9 Fe1 C2 C3 -63.9(4) . . . . ?
C6 Fe1 C2 C1 61.5(3) . . . . ?
C7 Fe1 C2 C1 99.0(2) . . . . ?
C3 Fe1 C2 C1 -119.0(4) . . . . ?
C5 Fe1 C2 C1 -39.1(2) . . . . ?
C4 Fe1 C2 C1 -82.0(3) . . . . ?
C8 Fe1 C2 C1 141.7(2) . . . . ?
C9 Fe1 C2 C1 177.1(3) . . . . ?
C1 C2 C3 C4 -1.4(5) . . . . ?
Fe1 C2 C3 C4 -60.2(3) . . . . ?
C1 C2 C3 Fe1 58.8(3) . . . . ?
C7 Fe1 C3 C2 58.6(3) . . . . ?
C1 Fe1 C3 C2 -37.7(2) . . . . ?
C5 Fe1 C3 C2 -82.8(3) . . . . ?
C10 Fe1 C3 C2 178.6(3) . . . . ?
C4 Fe1 C3 C2 -120.2(4) . . . . ?
C8 Fe1 C3 C2 97.8(3) . . . . ?
C9 Fe1 C3 C2 141.4(3) . . . . ?
C7 Fe1 C3 C4 178.8(3) . . . . ?
C1 Fe1 C3 C4 82.4(3) . . . . ?
C5 Fe1 C3 C4 37.3(3) . . . . ?
C2 Fe1 C3 C4 120.2(4) . . . . ?
C10 Fe1 C3 C4 -61.3(4) . . . . ?
C8 Fe1 C3 C4 -142.0(3) . . . . ?
C9 Fe1 C3 C4 -98.4(3) . . . . ?
C2 C3 C4 C5 0.7(5) . . . . ?
Fe1 C3 C4 C5 -59.4(3) . . . . ?
C2 C3 C4 Fe1 60.1(3) . . . . ?
C6 Fe1 C4 C5 -58.6(4) . . . . ?
C3 Fe1 C4 C5 118.8(4) . . . . ?
C1 Fe1 C4 C5 38.2(2) . . . . ?
C2 Fe1 C4 C5 81.8(3) . . . . ?
C10 Fe1 C4 C5 -98.0(3) . . . . ?
C8 Fe1 C4 C5 -179.7(3) . . . . ?
C9 Fe1 C4 C5 -141.0(2) . . . . ?
C6 Fe1 C4 C3 -177.4(3) . . . . ?
C1 Fe1 C4 C3 -80.7(3) . . . . ?
C5 Fe1 C4 C3 -118.8(4) . . . . ?
C2 Fe1 C4 C3 -37.0(3) . . . . ?
C10 Fe1 C4 C3 143.1(3) . . . . ?
C8 Fe1 C4 C3 61.4(4) . . . . ?
C9 Fe1 C4 C3 100.2(3) . . . . ?
C3 C4 C5 C1 0.2(5) . . . . ?
Fe1 C4 C5 C1 -58.6(3) . . . . ?
C3 C4 C5 Fe1 58.8(3) . . . . ?
C2 C1 C5 C4 -1.1(4) . . . . ?
P1 C1 C5 C4 176.7(3) . . . . ?
Fe1 C1 C5 C4 59.6(3) . . . . ?
C2 C1 C5 Fe1 -60.7(3) . . . . ?
P1 C1 C5 Fe1 117.1(3) . . . . ?
C6 Fe1 C5 C4 144.3(3) . . . . ?
C7 Fe1 C5 C4 -175.9(3) . . . . ?
C3 Fe1 C5 C4 -38.0(3) . . . . ?
C1 Fe1 C5 C4 -119.8(3) . . . . ?
C2 Fe1 C5 C4 -81.7(3) . . . . ?
C10 Fe1 C5 C4 99.7(3) . . . . ?
C9 Fe1 C5 C4 62.9(3) . . . . ?
C6 Fe1 C5 C1 -95.9(2) . . . . ?
C7 Fe1 C5 C1 -56.0(3) . . . . ?
C3 Fe1 C5 C1 81.8(2) . . . . ?
C2 Fe1 C5 C1 38.1(2) . . . . ?
C10 Fe1 C5 C1 -140.5(2) . . . . ?
C4 Fe1 C5 C1 119.8(3) . . . . ?
C9 Fe1 C5 C1 -177.2(2) . . . . ?
C32 P2 C6 C10 -129.3(3) . . . . ?
C26 P2 C6 C10 -22.0(3) . . . . ?
Ni1 P2 C6 C10 102.9(3) . . . . ?
C32 P2 C6 C7 53.7(3) . . . . ?
C26 P2 C6 C7 161.0(3) . . . . ?
Ni1 P2 C6 C7 -74.2(3) . . . . ?
C32 P2 C6 Fe1 141.1(2) . . . . ?
C26 P2 C6 Fe1 -111.6(2) . . . . ?
Ni1 P2 C6 Fe1 13.3(3) . . . . ?
C7 Fe1 C6 C10 118.6(3) . . . . ?
C1 Fe1 C6 C10 -143.9(2) . . . . ?
C5 Fe1 C6 C10 -99.0(2) . . . . ?
C2 Fe1 C6 C10 178.6(2) . . . . ?
C4 Fe1 C6 C10 -62.8(3) . . . . ?
C8 Fe1 C6 C10 80.3(2) . . . . ?
C9 Fe1 C6 C10 37.0(2) . . . . ?
C1 Fe1 C6 C7 97.5(2) . . . . ?
C5 Fe1 C6 C7 142.3(2) . . . . ?
C2 Fe1 C6 C7 60.0(3) . . . . ?
C10 Fe1 C6 C7 -118.6(3) . . . . ?
C4 Fe1 C6 C7 178.6(3) . . . . ?
C8 Fe1 C6 C7 -38.3(2) . . . . ?
C9 Fe1 C6 C7 -81.7(2) . . . . ?
C7 Fe1 C6 P2 -120.2(3) . . . . ?
C1 Fe1 C6 P2 -22.7(3) . . . . ?
C5 Fe1 C6 P2 22.1(3) . . . . ?
C2 Fe1 C6 P2 -60.2(3) . . . . ?
C10 Fe1 C6 P2 121.2(3) . . . . ?
C4 Fe1 C6 P2 58.4(4) . . . . ?
C8 Fe1 C6 P2 -158.5(3) . . . . ?
C9 Fe1 C6 P2 158.1(3) . . . . ?
C10 C6 C7 C8 0.0(4) . . . . ?
P2 C6 C7 C8 177.4(3) . . . . ?
Fe1 C6 C7 C8 62.0(3) . . . . ?
C10 C6 C7 Fe1 -62.1(3) . . . . ?
P2 C6 C7 Fe1 115.4(3) . . . . ?
C6 Fe1 C7 C8 -117.0(3) . . . . ?
C3 Fe1 C7 C8 65.5(3) . . . . ?
C1 Fe1 C7 C8 144.3(2) . . . . ?
C5 Fe1 C7 C8 -179.8(3) . . . . ?
C2 Fe1 C7 C8 101.3(3) . . . . ?
C10 Fe1 C7 C8 -78.9(2) . . . . ?
C9 Fe1 C7 C8 -36.6(2) . . . . ?
C3 Fe1 C7 C6 -177.6(2) . . . . ?
C1 Fe1 C7 C6 -98.7(2) . . . . ?
C5 Fe1 C7 C6 -62.9(3) . . . . ?
C2 Fe1 C7 C6 -141.8(2) . . . . ?
C10 Fe1 C7 C6 38.0(2) . . . . ?
C8 Fe1 C7 C6 117.0(3) . . . . ?
C9 Fe1 C7 C6 80.4(2) . . . . ?
C6 C7 C8 C9 -0.1(4) . . . . ?
Fe1 C7 C8 C9 59.3(3) . . . . ?
C6 C7 C8 Fe1 -59.4(2) . . . . ?
C6 Fe1 C8 C7 39.7(2) . . . . ?
C3 Fe1 C8 C7 -138.0(3) . . . . ?
C1 Fe1 C8 C7 -56.6(3) . . . . ?
C2 Fe1 C8 C7 -94.3(3) . . . . ?
C10 Fe1 C8 C7 84.3(2) . . . . ?
C4 Fe1 C8 C7 -175.9(3) . . . . ?
C9 Fe1 C8 C7 120.6(3) . . . . ?
C6 Fe1 C8 C9 -80.9(2) . . . . ?
C7 Fe1 C8 C9 -120.6(3) . . . . ?
C3 Fe1 C8 C9 101.4(3) . . . . ?
C1 Fe1 C8 C9 -177.2(2) . . . . ?
C2 Fe1 C8 C9 145.1(2) . . . . ?
C10 Fe1 C8 C9 -36.3(2) . . . . ?
C4 Fe1 C8 C9 63.5(3) . . . . ?
C7 C8 C9 C10 0.2(5) . . . . ?
Fe1 C8 C9 C10 57.8(3) . . . . ?
C7 C8 C9 Fe1 -57.5(3) . . . . ?
C6 Fe1 C9 C10 -38.5(2) . . . . ?
C7 Fe1 C9 C10 -83.7(3) . . . . ?
C3 Fe1 C9 C10 143.2(3) . . . . ?
C5 Fe1 C9 C10 60.6(4) . . . . ?
C2 Fe1 C9 C10 -177.3(3) . . . . ?
C4 Fe1 C9 C10 98.8(3) . . . . ?
C8 Fe1 C9 C10 -120.4(4) . . . . ?
C6 Fe1 C9 C8 81.9(2) . . . . ?
C7 Fe1 C9 C8 36.7(2) . . . . ?
C3 Fe1 C9 C8 -96.4(3) . . . . ?
C5 Fe1 C9 C8 -179.0(2) . . . . ?
C2 Fe1 C9 C8 -56.9(4) . . . . ?
C10 Fe1 C9 C8 120.4(4) . . . . ?
C4 Fe1 C9 C8 -140.7(2) . . . . ?
C8 C9 C10 C6 -0.2(5) . . . . ?
Fe1 C9 C10 C6 57.8(3) . . . . ?
C8 C9 C10 Fe1 -58.0(3) . . . . ?
C7 C6 C10 C9 0.2(4) . . . . ?
P2 C6 C10 C9 -177.3(3) . . . . ?
Fe1 C6 C10 C9 -61.0(3) . . . . ?
C7 C6 C10 Fe1 61.1(3) . . . . ?
P2 C6 C10 Fe1 -116.3(3) . . . . ?
C6 Fe1 C10 C9 118.7(4) . . . . ?
C7 Fe1 C10 C9 80.2(3) . . . . ?
C3 Fe1 C10 C9 -60.7(4) . . . . ?
C1 Fe1 C10 C9 177.2(3) . . . . ?
C5 Fe1 C10 C9 -142.2(3) . . . . ?
C4 Fe1 C10 C9 -98.9(3) . . . . ?
C8 Fe1 C10 C9 36.9(3) . . . . ?
C7 Fe1 C10 C6 -38.6(2) . . . . ?
C3 Fe1 C10 C6 -179.4(3) . . . . ?
C1 Fe1 C10 C6 58.4(3) . . . . ?
C5 Fe1 C10 C6 99.0(2) . . . . ?
C4 Fe1 C10 C6 142.3(2) . . . . ?
C8 Fe1 C10 C6 -81.8(2) . . . . ?
C9 Fe1 C10 C6 -118.7(4) . . . . ?
C13 N1 C11 S2 178.2(3) 3_565 . . . ?
C12 N1 C11 S2 0.0(5) . . . . ?
C13 N1 C11 S1 -1.7(5) 3_565 . . . ?
C12 N1 C11 S1 -179.9(3) . . . . ?
Ni1 S2 C11 N1 -174.4(3) . . . . ?
Ni1 S2 C11 S1 5.52(16) . . . . ?
Ni1 S1 C11 N1 174.3(3) . . . . ?
Ni1 S1 C11 S2 -5.66(16) . . . . ?
C11 N1 C12 C13 120.4(4) . . . . ?
C13 N1 C12 C13 -57.9(5) 3_565 . . . ?
N1 C12 C13 N1 53.7(4) . . . 3_565 ?
C1 P1 C14 C19 -29.3(4) . . . . ?
C20 P1 C14 C19 -143.9(4) . . . . ?
Ni1 P1 C14 C19 92.4(4) . . . . ?
C1 P1 C14 C15 153.7(3) . . . . ?
C20 P1 C14 C15 39.1(4) . . . . ?
Ni1 P1 C14 C15 -84.6(4) . . . . ?
C19 C14 C15 C16 3.2(7) . . . . ?
P1 C14 C15 C16 -179.6(4) . . . . ?
C14 C15 C16 C17 -1.9(8) . . . . ?
C15 C16 C17 C18 0.1(9) . . . . ?
C16 C17 C18 C19 0.2(9) . . . . ?
C15 C14 C19 C18 -3.0(7) . . . . ?
P1 C14 C19 C18 179.9(4) . . . . ?
C17 C18 C19 C14 1.3(8) . . . . ?
C1 P1 C20 C21 130.3(3) . . . . ?
C14 P1 C20 C21 -119.6(3) . . . . ?
Ni1 P1 C20 C21 6.1(4) . . . . ?
C1 P1 C20 C25 -52.3(4) . . . . ?
C14 P1 C20 C25 57.8(4) . . . . ?
Ni1 P1 C20 C25 -176.5(3) . . . . ?
C25 C20 C21 C22 2.8(6) . . . . ?
P1 C20 C21 C22 -179.7(4) . . . . ?
C20 C21 C22 C23 -0.1(7) . . . . ?
C21 C22 C23 C24 -2.2(8) . . . . ?
C22 C23 C24 C25 1.8(8) . . . . ?
C21 C20 C25 C24 -3.2(7) . . . . ?
P1 C20 C25 C24 179.4(4) . . . . ?
C23 C24 C25 C20 0.9(8) . . . . ?
C6 P2 C26 C27 84.2(3) . . . . ?
C32 P2 C26 C27 -170.2(3) . . . . ?
Ni1 P2 C26 C27 -47.7(3) . . . . ?
C6 P2 C26 C31 -92.7(3) . . . . ?
C32 P2 C26 C31 13.0(3) . . . . ?
Ni1 P2 C26 C31 135.5(3) . . . . ?
C31 C26 C27 C28 1.1(5) . . . . ?
P2 C26 C27 C28 -175.9(3) . . . . ?
C26 C27 C28 C29 -1.0(6) . . . . ?
C27 C28 C29 C30 0.3(6) . . . . ?
C28 C29 C30 C31 0.4(7) . . . . ?
C29 C30 C31 C26 -0.3(7) . . . . ?
C27 C26 C31 C30 -0.4(6) . . . . ?
P2 C26 C31 C30 176.4(3) . . . . ?
C6 P2 C32 C33 -164.5(3) . . . . ?
C26 P2 C32 C33 91.3(3) . . . . ?
Ni1 P2 C32 C33 -30.6(4) . . . . ?
C6 P2 C32 C37 18.0(4) . . . . ?
C26 P2 C32 C37 -86.3(4) . . . . ?
Ni1 P2 C32 C37 151.8(4) . . . . ?
C37 C32 C33 C34 0.1(6) . . . . ?
P2 C32 C33 C34 -177.6(3) . . . . ?
C32 C33 C34 C35 0.2(7) . . . . ?
C33 C34 C35 C36 -0.7(8) . . . . ?
C34 C35 C36 C37 0.7(9) . . . . ?
C35 C36 C37 C32 -0.3(10) . . . . ?
C33 C32 C37 C36 -0.1(8) . . . . ?
P2 C32 C37 C36 177.5(5) . . . . ?
